3-HYDROXY-1-N-CBZ-피롤리딘

Benzyl 3-hydroxypyrrolidine-1-carboxylate

HCID 560953CAS 95656-88-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(OCc1ccccc1)N1CCC(O)C1
InChIKey: MBLJFGOKYTZKMH-UHFFFAOYSA-N
분자식: C12H15NO3
평균 분자량: 221.25 g/mol
단동위원소 질량: 221.10519334

이름 및 식별자

우선 이름: Benzyl 3-hydroxypyrrolidine-1-carboxylate
IUPAC: benzyl 3-hydroxypyrrolidine-1-carboxylate
현지명: 3-HYDROXY-1-N-CBZ-피롤리딘
영어명: 3-Hydroxy-1-N-Cbz-pyrrolidine
분자식: C12H15NO3
분자량: 221.25

이름 및 동의어

95656-88-5benzyl 3-hydroxypyrrolidine-1-carboxylateDTXSID30913871RefChem:566637DTXCID50938687103-281-997545-52-3N-Cbz-3-hydroxypyrrolidine3-Hydroxy-1-N-Cbz-pyrrolidineMFCD080619491-CBZ-3-HYDROXYPYRROLIDINEN-(benzyloxycarbonyl)-3-pyrrolidinol

이름 더 보기

3-HYDROXY-1-N-CBZ-피롤리딘N-CBZ-33-HYDROXY-1-N-CBZ-PYN-Cbz-3-pyrrolidinolBenzyl 3-hydroxy-1-pyrrolidinecarboxylate

(R)-Benzyl 3-hydroxypyrrolidine-1-carboxylate1-PYRROLIDINECARBOXYLIC ACID, 3-HYDROXY-, PHENYLMETHYL ESTER3-Hydroxy-pyrrolidine-1-carboxylic acid benzyl ester3-hydroxypyrrolidine-1-carboxylic acid benzyl esterSCHEMBL492951SCHEMBL9001422SCHEMBL10563196AKOS012214203

데이터베이스 식별자

CAS: 95656-88-5、97545-52-3
PubChem CID: 560953
DTXSID: DTXSID30913871
EC Number: 103-281-9
Nikkaji: J3.637.687B

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 49.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 238

물리화학적 성질

끓는 점: 370.7 · 370.7±42.0 °C(Predicted)
밀도: 1.263 · 1.263±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 14.72 · 14.72±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.